UCSF

ZINC01249645

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 0.95 -54.75 3 9 -1 136 357.346 6
Hi High (pH 8-9.5) 1.87 2.06 -103.44 2 9 -2 139 356.338 6
Hi High (pH 8-9.5) 1.87 1.96 -105.05 2 9 -2 139 356.338 6
Mid Mid (pH 6-8) 1.41 3.47 -15.87 4 9 0 133 358.354 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )